Re: [Rdkit-discuss] Errors with RDKit

2018-01-23 Thread Carlos Faerman
-discuss] Errors with RDKit Hi Carlos, Simmilar to Axel, in my code I use if mol is None: return False (if you are using a function to read each SDF file) if mol is None: continue (to force the next loop) -- Wandré Nunes de Pinho Veloso Professor Assistente - Unifei - Campus Avançado de Itabira-MG

Re: [Rdkit-discuss] Errors with RDKit

2018-01-23 Thread Wandré
Hi Carlos, Simmilar to Axel, in my code I use if mol is None: return False (if you are using a function to read each SDF file) if mol is None: continue (to force the next loop) -- Wandré Nunes de Pinho Veloso Professor Assistente - Unifei - Campus Avançado de Itabira-MG Doutorando em Bioinformátic

Re: [Rdkit-discuss] Errors with RDKit

2018-01-22 Thread Axel Pahl
Hi Carlos, insert this in your loop: if not mol: continue Kind regards, Axel On 23.01.2018 03:59, Carlos Faerman wrote: Hello, My code is very simple: suppl4 = Chem.SDMolSupplier("/Volumes/MyPassportForMac/chembl_23.sdf") i = 0 for mol in suppl4: smile = Chem.MolToSmiles(mol,isome